Crystallography Open Database

Information card for entry 7706295

Preview

Coordinates	7706295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Br2 Co N4 S2
Calculated formula	C12 H8 Br2 Co N4 S2
Title of publication	Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties.
Authors of publication	Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	43
Pages of publication	15310 - 15322
a	8.0951 ± 0.0003 Å
b	9.4346 ± 0.0004 Å
c	10.8479 ± 0.0004 Å
α	73.304 ± 0.003°
β	83.016 ± 0.003°
γ	80.318 ± 0.003°
Cell volume	779.91 ± 0.05 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
260522 (current)	2021-01-05	cif/ Adding structures of 7706290, 7706291, 7706292, 7706293, 7706294, 7706295 via cif-deposit CGI script.	7706295.cif